2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester - CAS 1899832-38-2
Catalog: |
BB014686 |
Product Name: |
2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester |
CAS: |
1899832-38-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester (CAS# 1899832-38-2 ) is a useful research chemical. |
Molecular Weight: | 275.11 |
Molecular Formula: | C14H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3COC(=O)NC3=CC=C2 |
InChI: | InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-5-7-11-9(10)8-18-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17) |
InChI Key: | IVVRJOIDTXBEND-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
JP-2017533897-A | Heteroaryl compounds and their use as BTK inhibitors | 20141006 |
US-10253023-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | 20141006 |
US-2016096834-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
US-2019233417-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
JP-6856526-B2 | Heteroaryl compounds as BTK inhibitors and their use | 20141006 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1328882 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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